HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4116",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4114",
"results": [
{
"id": "jvasp-112628",
"created_at": "2022-09-04T14:38:42.284793Z",
"updated_at": "2022-09-04T14:38:42.284810Z",
"structure_string": "Tb2 Fe17 C2\n1.0\n6.292368 0.012564 0.726286\n0.670974 6.256505 0.726286\n0.026401 0.023769 6.376387\nTb Fe C\n2 17 2\ndirect\n0.647322 0.647322 0.667811 Tb\n0.352677 0.352677 0.332191 Tb\n0.500000 -0.000000 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.724530 0.275470 0.000001 Fe\n0.997752 0.718854 0.282521 Fe\n0.281145 0.002248 0.717481 Fe\n0.002248 0.281145 0.717481 Fe\n0.718855 0.997751 0.282521 Fe\n0.275470 0.724529 0.000001 Fe\n0.146839 0.655942 0.661799 Fe\n0.655942 0.146839 0.661799 Fe\n0.656430 0.656429 0.140855 Fe\n0.853160 0.344057 0.338203 Fe\n0.344057 0.853159 0.338203 Fe\n0.343570 0.343570 0.859147 Fe\n0.092981 0.092981 0.090704 Fe\n0.907018 0.907017 0.909298 Fe\n0.500000 -0.000000 0.500001 C\n-0.000000 0.500000 0.500001 C\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"C"
],
"chemical_system": "C-Fe-Tb",
"density": 8.550722060647844,
"density_atomic": 0.08374656282720867,
"volume": 250.75655992388081,
"volume_molar": 7.1909109540713585,
"formula_full": "Tb2 Fe17 C2",
"formula_reduced": "Tb2Fe17C2",
"formula_anonymous": "A2B2C17",
"energy_above_hull": 4.42172049047619,
"spacegroup": 12
},
{
"id": "jvasp-116711",
"created_at": "2022-09-04T14:38:51.227218Z",
"updated_at": "2022-09-04T14:38:51.227243Z",
"structure_string": "Ce9 Se6 N3 O3\n1.0\n12.395878 0.005059 1.153687\n11.745273 3.963128 1.153687\n-0.007940 -0.001305 9.342250\nCe Se N O\n9 6 3 3\ndirect\n0.461716 0.461715 0.678889 Ce\n0.539075 0.539075 0.320461 Ce\n0.090046 0.090045 0.649246 Ce\n0.907699 0.907700 0.351036 Ce\n0.187626 0.187626 0.008060 Ce\n0.812725 0.812724 0.991808 Ce\n0.000355 0.000352 0.995154 Ce\n0.280136 0.280134 0.662312 Ce\n0.719771 0.719772 0.338103 Ce\n0.689397 0.689397 0.676168 Se\n0.310429 0.310429 0.326359 Se\n0.588826 0.588825 0.974200 Se\n0.867359 0.867359 0.671203 Se\n0.132321 0.132320 0.327053 Se\n0.411945 0.411946 0.034571 Se\n0.277029 0.277027 0.900181 N\n0.723691 0.723692 0.100355 N\n0.001327 0.001325 0.755821 N\n0.552596 0.552595 0.563234 O\n0.447397 0.447397 0.429073 O\n0.998538 0.998539 0.246720 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ce",
"Se",
"N",
"O"
],
"chemical_system": "Ce-N-O-Se",
"density": 6.609873185013887,
"density_atomic": 0.04580814918432559,
"volume": 458.433714828751,
"volume_molar": 13.146439808706848,
"formula_full": "Ce9 Se6 N3 O3",
"formula_reduced": "Ce3Se2NO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.418412854761905,
"spacegroup": 8
},
{
"id": "jvasp-120445",
"created_at": "2022-09-04T14:38:52.171957Z",
"updated_at": "2022-09-04T14:38:52.171984Z",
"structure_string": "Sm2 Mn3 Cu9 P7\n1.0\n3.791625 -0.000000 0.000000\n-0.000000 8.345582 4.708644\n-0.000000 0.160901 9.451504\nSm Mn Cu P\n2 3 9 7\ndirect\n0.000000 0.670528 0.663729 Sm\n0.500001 0.329162 0.337344 Sm\n0.500001 0.790170 0.118869 Mn\n0.500001 0.136392 0.081831 Mn\n0.500001 0.065021 0.816706 Mn\n0.500001 0.421904 0.613775 Cu\n0.500001 0.958727 0.425490 Cu\n0.500001 0.612296 0.961277 Cu\n0.000000 0.888845 0.266030 Cu\n0.000000 0.286136 0.834774 Cu\n0.000000 0.048561 0.572366 Cu\n0.000000 0.381961 0.050058 Cu\n0.000000 0.570336 0.384385 Cu\n0.000000 0.832622 0.882288 Cu\n0.500001 0.416385 0.877688 P\n0.000000 0.585533 0.130141 P\n0.000000 0.124299 0.284922 P\n0.000000 0.278179 0.595391 P\n0.500001 0.883978 0.712243 P\n0.500001 0.711114 0.407991 P\n0.000000 0.007846 -0.017304 P\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sm",
"Mn",
"Cu",
"P"
],
"chemical_system": "Cu-Mn-P-Sm",
"density": 7.03148161592839,
"density_atomic": 0.07089701057291406,
"volume": 296.2043086203549,
"volume_molar": 8.494209715382183,
"formula_full": "Sm2 Mn3 Cu9 P7",
"formula_reduced": "Sm2Mn3Cu9P7",
"formula_anonymous": "A2B3C7D9",
"energy_above_hull": 1.96167771543514,
"spacegroup": 6
},
{
"id": "jvasp-120546",
"created_at": "2022-09-04T14:38:52.658180Z",
"updated_at": "2022-09-04T14:38:52.658207Z",
"structure_string": "Ba2 Sr1 B18\n1.0\n4.245834 0.000000 0.000000\n0.000000 4.245834 0.000000\n-0.000000 0.000000 12.740018\nBa Sr B\n2 1 18\ndirect\n0.000000 0.000000 0.332007 Ba\n0.000000 0.000000 0.667993 Ba\n0.000000 0.000000 0.000000 Sr\n0.796155 0.500000 0.163828 B\n0.500000 0.796155 0.836172 B\n0.500000 0.795652 0.500000 B\n0.500000 0.796155 0.163828 B\n0.500000 0.500000 0.736812 B\n0.500000 0.500000 0.400972 B\n0.500000 0.500000 0.066451 B\n0.500000 0.203844 0.836172 B\n0.500000 0.204347 0.500000 B\n0.500000 0.203844 0.163828 B\n0.500000 0.500000 0.933549 B\n0.500000 0.500000 0.599028 B\n0.500000 0.500000 0.263188 B\n0.203844 0.500000 0.836172 B\n0.204347 0.500000 0.500000 B\n0.203844 0.500000 0.163828 B\n0.795652 0.500000 0.500000 B\n0.796155 0.500000 0.836172 B\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"B"
],
"chemical_system": "B-Ba-Sr",
"density": 4.02632118915452,
"density_atomic": 0.09143726602221082,
"volume": 229.66565945769787,
"volume_molar": 6.586090138059437,
"formula_full": "Ba2 Sr1 B18",
"formula_reduced": "Ba2SrB18",
"formula_anonymous": "AB2C18",
"energy_above_hull": 4.778432607142857,
"spacegroup": 123
},
{
"id": "jvasp-122489",
"created_at": "2022-09-04T14:38:50.625067Z",
"updated_at": "2022-09-04T14:38:50.625095Z",
"structure_string": "Ca3 Ru4 O14\n1.0\n6.264325 0.000000 3.616710\n-4.176216 5.849002 0.000000\n-0.000000 -0.000000 7.233419\nCa Ru O\n3 4 14\ndirect\n0.499999 0.500000 0.500000 Ca\n-0.000000 0.500000 0.000000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.499999 0.500000 0.000000 Ru\n0.500000 -0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.754645 0.068188 0.686458 O\n0.748709 0.679039 0.069672 O\n0.748709 0.679039 0.681620 O\n0.754645 0.068188 0.058898 O\n0.360657 0.679039 0.069671 O\n0.127085 0.068188 0.686458 O\n0.251290 0.320961 0.318381 O\n0.251290 0.320961 0.930329 O\n0.762754 0.394132 0.368623 O\n0.245354 0.931812 0.941103 O\n0.639341 0.320961 0.930330 O\n0.872914 0.931812 0.313543 O\n0.245354 0.931812 0.313543 O\n0.237244 0.605867 0.631378 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru",
"density": 4.689693691670044,
"density_atomic": 0.07923546682722192,
"volume": 265.03282987897154,
"volume_molar": 7.600309559772859,
"formula_full": "Ca3 Ru4 O14",
"formula_reduced": "Ca3(Ru2O7)2",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 2.966309631428572,
"spacegroup": 166
},
{
"id": "jvasp-51728",
"created_at": "2022-09-04T14:37:28.970003Z",
"updated_at": "2022-09-04T14:37:28.970034Z",
"structure_string": "Ca4 Mg3 H14\n1.0\n3.112170 -5.390437 0.000000\n3.112170 5.390437 0.000000\n0.000000 0.000000 6.842828\nCa Mg H\n4 3 14\ndirect\n0.000000 0.000000 0.266422 Ca\n0.000000 0.000000 0.733578 Ca\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.557060 0.557060 0.000000 Mg\n-0.000000 0.442940 0.000000 Mg\n0.442940 -0.000000 0.000000 Mg\n0.769441 -0.000000 0.000000 H\n-0.000000 0.769441 0.000000 H\n0.230560 0.230560 0.000000 H\n0.736431 -0.000000 0.500000 H\n-0.000000 0.736431 0.500000 H\n0.263569 0.263569 0.500000 H\n0.611972 0.611972 0.723981 H\n-0.000000 0.388028 0.723981 H\n0.666667 0.333333 0.000000 H\n0.388028 -0.000000 0.276019 H\n-0.000000 0.388028 0.276019 H\n0.611972 0.611972 0.276019 H\n0.388028 -0.000000 0.723981 H\n0.333333 0.666667 0.000000 H\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"H"
],
"chemical_system": "Ca-H-Mg",
"density": 1.788905161112728,
"density_atomic": 0.09146741145600801,
"volume": 229.58996724314343,
"volume_molar": 6.583919522961899,
"formula_full": "Ca4 Mg3 H14",
"formula_reduced": "Ca4Mg3H14",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 1.889603753809524,
"spacegroup": 189
},
{
"id": "jvasp-47710",
"created_at": "2022-09-04T14:37:29.046171Z",
"updated_at": "2022-09-04T14:37:29.046192Z",
"structure_string": "Li3 Co3 Si3 O12\n1.0\n2.740829 -4.747255 -0.000000\n2.740829 4.747255 -0.000000\n-0.000000 -0.000000 11.283955\nLi Co Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.333333 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.666667 Co\n0.500000 0.500000 0.833333 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.166667 Si\n0.391763 0.221637 0.918771 O\n0.391763 0.170126 0.414561 O\n0.829874 0.221638 0.081228 O\n0.778363 0.170126 0.585438 O\n0.170126 0.778363 0.081228 O\n0.221637 0.391763 0.747894 O\n0.608237 0.778363 0.918771 O\n0.608237 0.829874 0.414561 O\n0.829874 0.608237 0.252106 O\n0.170126 0.391763 0.252106 O\n0.221638 0.829874 0.585438 O\n0.778363 0.608237 0.747894 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.6797494933593886,
"density_atomic": 0.071516038935005,
"volume": 293.6404240604707,
"volume_molar": 8.420685554848788,
"formula_full": "Li3 Co3 Si3 O12",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.448583357142857,
"spacegroup": 180
},
{
"id": "jvasp-26716",
"created_at": "2022-09-04T14:37:43.929167Z",
"updated_at": "2022-09-04T14:37:43.929174Z",
"structure_string": "Na4 Ti5 O12\n1.0\n2.676307 -4.635499 -0.000000\n2.676307 4.635499 0.000000\n0.000000 0.000000 9.594325\nNa Ti O\n4 5 12\ndirect\n0.666668 0.333334 0.388993 Na\n0.333334 0.666668 0.594365 Na\n0.000000 0.000000 0.803626 Na\n0.000000 0.000000 0.179827 Na\n0.333334 0.666668 0.963134 Ti\n0.000000 0.000000 0.491721 Ti\n0.333334 0.666668 0.274261 Ti\n0.666668 0.333334 0.020291 Ti\n0.666668 0.333334 0.709166 Ti\n0.332043 0.236261 0.613023 O\n0.572364 0.984226 0.114181 O\n0.095786 0.332047 0.370413 O\n0.667954 0.763741 0.370413 O\n0.015775 0.588138 0.114181 O\n0.588156 0.572374 0.869253 O\n0.763740 0.095783 0.613023 O\n0.984219 0.411846 0.869253 O\n0.411863 0.427638 0.114181 O\n0.427627 0.015782 0.869253 O\n0.904218 0.667959 0.613023 O\n0.236261 0.904215 0.370413 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti",
"density": 3.6501616510425334,
"density_atomic": 0.08821500266662374,
"volume": 238.0547453970137,
"volume_molar": 6.82666278746085,
"formula_full": "Na4 Ti5 O12",
"formula_reduced": "Na4Ti5O12",
"formula_anonymous": "A4B5C12",
"energy_above_hull": 2.5908237936507934,
"spacegroup": 147
},
{
"id": "jvasp-39065",
"created_at": "2022-09-04T14:37:41.566126Z",
"updated_at": "2022-09-04T14:37:41.566147Z",
"structure_string": "Zr2 Co12 P7\n1.0\n0.000000 8.934404 0.001033\n3.559249 0.000000 0.000000\n0.000000 -4.466213 -7.737985\nZr Co P\n2 12 7\ndirect\n0.666665 0.000000 0.333335 Zr\n0.333337 0.500000 0.666667 Zr\n0.132898 0.500000 0.233947 Co\n0.101048 0.500000 0.867103 Co\n0.766053 0.500000 0.898953 Co\n0.276197 0.000000 0.118685 Co\n0.842487 0.000000 0.723802 Co\n0.881316 0.000000 0.157510 Co\n0.439639 0.500000 0.054978 Co\n0.615338 0.500000 0.560361 Co\n0.375251 0.000000 0.439219 Co\n0.063970 0.000000 0.624748 Co\n0.560782 0.000000 0.936035 Co\n0.945018 0.500000 0.384661 Co\n0.291995 0.000000 0.882896 P\n0.884129 0.500000 0.594464 P\n0.405534 0.500000 0.289663 P\n0.710335 0.500000 0.115874 P\n0.000001 0.000000 -0.000001 P\n0.590907 0.000000 0.708009 P\n0.117103 0.000000 0.409094 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Zr",
"Co",
"P"
],
"chemical_system": "Co-P-Zr",
"density": 7.467289802709936,
"density_atomic": 0.08534860674085575,
"volume": 246.0497107323892,
"volume_molar": 7.055933295179669,
"formula_full": "Zr2 Co12 P7",
"formula_reduced": "Zr2Co12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 4.122110871428572,
"spacegroup": 174
},
{
"id": "jvasp-88250",
"created_at": "2022-09-04T14:35:48.576742Z",
"updated_at": "2022-09-04T14:35:48.576760Z",
"structure_string": "Li3 Al3 Si3 O12\n1.0\n5.281927 0.000000 -0.000000\n-2.640964 4.574283 0.000000\n0.000000 0.000000 11.454413\nLi Al Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.333333 Li\n0.500000 0.500000 0.166667 Al\n0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.666667 Si\n0.000000 0.500000 0.333333 Si\n0.500000 -0.000000 0.000000 Si\n0.204870 0.398237 0.744446 O\n0.806632 0.204869 0.411114 O\n0.398238 0.193368 0.077780 O\n0.806632 0.601762 0.255553 O\n0.193369 0.795130 0.411114 O\n0.795131 0.193368 0.922220 O\n0.601763 0.795130 0.588886 O\n0.193368 0.398237 0.255553 O\n0.204870 0.806631 0.922220 O\n0.398238 0.204869 0.588886 O\n0.795131 0.601762 0.744446 O\n0.601763 0.806631 0.077780 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.2681515508483456,
"density_atomic": 0.07588064821933242,
"volume": 276.7504033347167,
"volume_molar": 7.936332782230655,
"formula_full": "Li3 Al3 Si3 O12",
"formula_reduced": "LiAlSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.045510771428572,
"spacegroup": 181
},
{
"id": "jvasp-14187",
"created_at": "2022-09-04T14:37:56.653093Z",
"updated_at": "2022-09-04T14:37:56.653115Z",
"structure_string": "Na2 Cu3 Ge4 O12\n1.0\n5.556672 0.074047 -0.022569\n0.180238 6.352757 0.050947\n1.644641 0.273770 7.504306\nNa Cu Ge O\n2 3 4 12\ndirect\n0.090517 0.247754 0.596662 Na\n0.909482 0.752247 0.403338 Na\n0.508619 0.162749 0.819909 Cu\n0.491381 0.837252 0.180092 Cu\n0.000000 0.000000 0.000000 Cu\n0.245583 0.397666 0.178502 Ge\n0.754416 0.602335 0.821499 Ge\n0.693099 0.221669 0.371255 Ge\n0.306901 0.778332 0.628746 Ge\n0.237612 0.992491 0.775099 O\n0.935553 0.408247 0.315314 O\n0.587755 0.637689 0.641214 O\n0.412245 0.362312 0.358786 O\n0.733982 0.827237 0.952964 O\n0.291562 0.882690 0.414859 O\n0.717350 0.345284 0.914101 O\n0.282650 0.654717 0.085900 O\n0.762388 0.007510 0.224902 O\n0.708438 0.117311 0.585142 O\n0.266017 0.172764 0.047037 O\n0.064447 0.591754 0.684687 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Na",
"Cu",
"Ge",
"O"
],
"chemical_system": "Cu-Ge-Na-O",
"density": 4.5070218717859944,
"density_atomic": 0.0792552601466325,
"volume": 264.96664020971326,
"volume_molar": 7.598411447843662,
"formula_full": "Na2 Cu3 Ge4 O12",
"formula_reduced": "Na2Cu3(GeO3)4",
"formula_anonymous": "A2B3C4D12",
"energy_above_hull": 1.707088816666667,
"spacegroup": 2
},
{
"id": "jvasp-55694",
"created_at": "2022-09-04T14:38:07.536456Z",
"updated_at": "2022-09-04T14:38:07.536482Z",
"structure_string": "Sr7 H12 Cl2\n1.0\n4.980159 -8.625888 0.000000\n4.980159 8.625888 0.000000\n-0.000000 -0.000000 3.927506\nSr H Cl\n7 12 2\ndirect\n0.783723 0.050185 0.500000 Sr\n0.362656 0.921206 0.000000 Sr\n0.078794 0.441450 0.000000 Sr\n0.558550 0.637344 0.000000 Sr\n0.666667 0.333333 0.000000 Sr\n0.266462 0.216277 0.500000 Sr\n0.949815 0.733538 0.500000 Sr\n0.092002 0.698826 0.000000 H\n0.301174 0.393176 0.000000 H\n0.606824 0.907998 0.000000 H\n0.824182 0.214243 0.000000 H\n0.390062 0.175818 0.000000 H\n0.785757 0.609939 0.000000 H\n0.227072 0.943044 0.500000 H\n0.056956 0.284028 0.500000 H\n0.563547 0.116862 0.500000 H\n0.553316 0.436453 0.500000 H\n0.883138 0.446685 0.500000 H\n0.715972 0.772928 0.500000 H\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.500000 Cl\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sr",
"H",
"Cl"
],
"chemical_system": "Cl-H-Sr",
"density": 3.42671008424137,
"density_atomic": 0.062233670828911965,
"volume": 337.4379129544132,
"volume_molar": 9.676660045581448,
"formula_full": "Sr7 H12 Cl2",
"formula_reduced": "Sr7(H6Cl)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 1.5902720145238094,
"spacegroup": 174
}
]
}